Chemical Properties of endo-Methylenetetrahydrophthalic acid, dimethyl ester

InChI

InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3

InChI Key

VGQLNJWOULYVFV-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COC(=O)C1C2C=CC(C2)C1C(=O)OC

Molecular Weight¹

210.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-624.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.52	kJ/mol	Joback Calculated Property
ΔvapH°	76.35	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	0.771		Crippen Calculated Property
McVol	154.710	ml/mol	McGowan Calculated Property
Inp	[1441.60; 1441.60]
Inp	1441.60		NIST
Inp	1441.60		NIST
Tboil	501.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.65; 492.39]	J/mol×K	[575.29; 780.82]
Cp,gas	409.65	J/mol×K	575.29	Joback Calculated Property
Cp,gas	425.88	J/mol×K	609.55	Joback Calculated Property
Cp,gas	441.09	J/mol×K	643.80	Joback Calculated Property
Cp,gas	455.32	J/mol×K	678.06	Joback Calculated Property
Cp,gas	468.59	J/mol×K	712.31	Joback Calculated Property
Cp,gas	480.94	J/mol×K	746.57	Joback Calculated Property
Cp,gas	492.39	J/mol×K	780.82	Joback Calculated Property
η	[0.0007640; 0.0020199]	Pa×s	[323.03; 575.29]
η	0.0020199	Pa×s	323.03	Joback Calculated Property
η	0.0015647	Pa×s	365.07	Joback Calculated Property
η	0.0012778	Pa×s	407.12	Joback Calculated Property
η	0.0010838	Pa×s	449.16	Joback Calculated Property
η	0.0009455	Pa×s	491.20	Joback Calculated Property
η	0.0008428	Pa×s	533.25	Joback Calculated Property
η	0.0007640	Pa×s	575.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-Methylenetetrahydrophthalic acid, dimethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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